CID 3318155
(1-(3-benzyl-ureido)-2,2-dichloro-vinyl)-triphenyl-phosphonium, perchlorate
Structural Information
- Molecular Formula
- C28H24Cl2N2OP
- SMILES
- C1=CC=C(C=C1)CNC(=O)NC(=C(Cl)Cl)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
- InChI
- InChI=1S/C28H23Cl2N2OP/c29-26(30)27(32-28(33)31-21-22-13-5-1-6-14-22)34(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2,(H-,31,32,33)/p+1
- InChIKey
- ALHPDDKZEXIPKB-UHFFFAOYSA-O
- Compound name
- [1-(benzylcarbamoylamino)-2,2-dichloroethenyl]-triphenylphosphanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 506.10762 | 221.7 |
[M+Na]+ | 528.08956 | 222.7 |
[M-H]- | 504.09306 | 230.2 |
[M+NH4]+ | 523.13416 | 227.2 |
[M+K]+ | 544.06350 | 208.9 |
[M+H-H2O]+ | 488.09760 | 211.6 |
[M+HCOO]- | 550.09854 | 236.2 |
[M+CH3COO]- | 564.11419 | 233.4 |
[M+Na-2H]- | 526.07501 | 222.4 |
[M]+ | 505.09979 | 220.3 |
[M]- | 505.10089 | 220.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.